[zinc(II)(μ2-κ1O:κ1O'-O2C(t-Bu))2(2,4-lutidine)]2 | 1307746-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [zinc(II)(μ2-κ1O:κ1O'-O2C(t-Bu))2(2,4-lutidine)]2
• CAS: 1307746-79-7
• 化学式: C₃₄H₅₄N₂O₈Zn₂*H₂O
• 分子量: 767.607
• InChiKey: AADLBOMDTBWLIF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  zinc pivalate 、 2,4-二甲基吡啶 以 甲醇 为溶剂， 以90%的产率得到[zinc(II)(μ2-κ1O:κ1O'-O2C(t-Bu))2(2,4-lutidine)]2
  参考文献：
  名称：

  Effects of steric/basic properties of Lewis bases on the degree of aggregation of zinc(II) pivalate complexes

  摘要：

  A triangular [Zn-3(mu(3)-OH)(OC(O)Bu-t)(mu(2)-kappa O-1:kappa O-1'-(O2CBu)-Bu-t)(4)(3,5-lutidine)(3)] (1), a paddlewheel based dinuclear [Zn(mu(2)-kappa O-1:kappa O-1'-(O2CBu)-Bu-t)(2)L](2) [L = 2,4-lutidine (2), 3,4-lutidine (3), and 2,3-lutidine (4)] and an hourglass based linear trinuclear [Zn-3(l mu(2)-kappa O-1:kappa O-1'-(O2CBu)-Bu-t)(6)(pyridine)(2)] (5) complexes were synthesized to understand the role of subtle steric/basic properties of Lewis bases on the degree of aggregation of the products. The mononuclear Zn(OC(O)Bu-t)(2)center dot 2H(2)O was also prepared in order to probe the origin of the mu(3)-OH moiety in complex 1. Complexes 1-5 and Zn(OC(O)Bu-t)(2)center dot 2H(2)O were characterized by microanalytical, IR, TGA/DTA, solution (H-1 and C-13) NMR, solid-state cross-polarization magic angle spinning (CP-MAS) C-13 NMR, mass spectral data and single crystal X-ray diffraction data. Complex 1 represents the first example of a discrete trinuclear zinc(II) carboxylate complex that contains a [Zn-3(mu(3)-OH)](5+) core with zinc atoms in three distinct geometries namely a distorted tetrahedral, trigonal bipyramidal, and octahedral. A plausible mechanism for the formation of complexes 1-5 was explained with the aid of point zero charge (pzc) model. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.040